General Information of the Compound
| Compound ID |
CP0056779
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| Compound Name |
1,2-di[8-(4-methylhexahydro-1-pyrazinyl)-2-naphthyloxy]ethane
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
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| InChI |
InChI=1S/C32H38N4O2/c1-33-13-17-35(18-14-33)31-7-3-5-25-9-11-27(23-29(25)31)37-21-22-38-28-12-10-26-6-4-8-32(30(26)24-28)36-19-15-34(2)16-20-36/h3-12,23-24H,13-22H2,1-2H3
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| InChIKey |
DXVCDEJYEPFURE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound